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Silver Migration Facilitates lsocyanide-Alkyne [3+2] Cycloaddition Reactions: Combined Experimental and Theoretical Study 期刊论文
ACS Catalysis, 2015, 卷号: 5, 期号: 11, 页码: 6640-6647
Authors:  Qi, Xiaotian;  Zhang, Heng;  Shao, Ailong;  Zhu, Lei;  Xu, Ting;  Gao, Meng;  Liu C(刘超);  Lan, Yu;  Liu C(刘超)
Adobe PDF(3262Kb)  |  Favorite  |  View/Download：86/0  |  Submit date：2016/01/12
Silver Migration  [3+2] Cycloaddition  Dft Calculation  Npa Charge  Competitive Experiments  
Estrogen Formation via H-Abstraction from the O-H Bond of gem-Diol by Compound I in the Reaction of CYP19A1: Mechanistic Scenario Derived from Multiscale QM/MM Calculations 期刊论文
ACS Catalysis, 2015, 卷号: 5, 期号: 7, 页码: 4175-4179
Authors:  Xu, Kai;  Wang, Yong;  Hirao, Hajime
Adobe PDF(4122Kb)  |  Favorite  |  View/Download：96/1  |  Submit date：2015/10/29
Aromatase  Cpd i  Qm/mm  H-abstraction  Pcet